MOLECULAR-ORBITAL STUDY OF THE DIMERS (AHN)2 FORMED FROM NH3, OH2, FH, PH3, SH2, AND CIH

被引:250
作者
FRISCH, MJ
POPLE, JA
DELBENE, JE
机构
[1] YOUNGSTOWN STATE UNIV,DEPT CHEM,YOUNGSTOWN,OH 44555
[2] UNIV CALIF BERKELEY,DEPT CHEM,BERKELEY,CA 94720
[3] CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
关键词
D O I
10.1021/j100263a018
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
引用
收藏
页码:3664 / 3669
页数:6
相关论文
共 40 条
[1]   EFFICIENT DIFFUSE FUNCTION-AUGMENTED BASIS SETS FOR ANION CALCULATIONS. III. THE 3-21+G BASIS SET FOR FIRST-ROW ELEMENTS, LI-F [J].
CLARK, T ;
CHANDRASEKHAR, J ;
SPITZNAGEL, GW ;
SCHLEYER, PV .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1983, 4 (03) :294-301
[2]   MICROWAVE-SPECTRUM OF N-14H3 IN V=000DEGREES1 STATE [J].
COHEN, EA ;
POYNTER, RL .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1974, 53 (02) :131-139
[3]  
CURTIS LA, 1973, J CHEM PHYS, V71, P2703
[4]   RADIO-FREQUENCY SPECTRUM OF PHOSPHINE (PH3) [J].
DAVIES, PB ;
NEUMANN, RM ;
WOFSY, SC ;
KLEMPERE.W .
JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (07) :3564-&
[5]  
DEFREES DJ, 1979, J AM CHEM SOC, V101, P4085, DOI 10.1021/ja00509a013
[6]   ABINITIO COMPUTATION OF THE ENTHALPIES OF SOME GAS-PHASE HYDRATION REACTIONS [J].
DELBENE, JE ;
METTEE, HD ;
FRISCH, MJ ;
LUKE, BT ;
POPLE, JA .
JOURNAL OF PHYSICAL CHEMISTRY, 1983, 87 (17) :3279-3282
[7]   SCF-CI STUDIES OF CORRELATION EFFECTS ON HYDROGEN-BONDING AND ION HYDRATION - SYSTEMS - H2O,H+ . H2O, LI+ . H2O, F- . H2O, AND H2O . H2O [J].
DIERCKSEN, GHF ;
KRAEMER, WP ;
ROOS, BO .
THEORETICA CHIMICA ACTA, 1975, 36 (04) :249-274
[8]   SYSTEMATIC STUDY OF 9 HYDROGEN-BONDED DIMERS INVOLVING NH3, OH2, AND HF [J].
DILL, JD ;
ALLEN, LC ;
TOPP, WC ;
POPLE, JA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (25) :7220-7226
[9]  
DYKE T, 1979, J CHEM PHYS, V70, P4884
[10]   STRUCTURE OF WATER DIMER FROM MOLECULAR-BEAM ELECTRIC RESONANCE SPECTROSCOPY [J].
DYKE, TR ;
MACK, KM ;
MUENTER, JS .
JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (02) :498-510